5-iodo-N-(1,2-oxazol-3-ylmethyl)pyrimidin-2-amine

C8H7IN4O — CID 104844042

IUPAC5-iodo-N-(1,2-oxazol-3-ylmethyl)pyrimidin-2-amine
SMILESIc1cnc(NCc2ccon2)nc1
InChIInChI=1S/C8H7IN4O/c9-6-3-10-8(11-4-6)12-5-7-1-2-14-13-7/h1-4H,5H2,(H,10,11,12)
InChIKeyUZJQTWYLDOCOFG-UHFFFAOYSA-N
MW302.08 g/mol
LogP1.68
Rot. Bonds3

About 5-iodo-N-(1,2-oxazol-3-ylmethyl)pyrimidin-2-amine

5-iodo-N-(1,2-oxazol-3-ylmethyl)pyrimidin-2-amine (PubChem CID 104844042) has the molecular formula C8H7IN4O and a molecular weight of 302.08 g/mol. Its IUPAC name is 5-iodo-N-(1,2-oxazol-3-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-iodo-N-(1,2-oxazol-3-ylmethyl)pyrimidin-2-amine
PubChem CID104844042
Molecular FormulaC8H7IN4O
Molecular Weight302.08 g/mol
Exact Mass301.97
IUPAC Name5-iodo-N-(1,2-oxazol-3-ylmethyl)pyrimidin-2-amine
SMILESIc1cnc(NCc2ccon2)nc1
InChIInChI=1S/C8H7IN4O/c9-6-3-10-8(11-4-6)12-5-7-1-2-14-13-7/h1-4H,5H2,(H,10,11,12)
InChIKeyUZJQTWYLDOCOFG-UHFFFAOYSA-N
XLogP1.68
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.08
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-(1,2-oxazol-3-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 5-iodo-N-(1,2-oxazol-3-ylmethyl)pyrimidin-2-amine (CID 104844042) is 5-iodo-N-(1,2-oxazol-3-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-iodo-N-(1,2-oxazol-3-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 5-iodo-N-(1,2-oxazol-3-ylmethyl)pyrimidin-2-amine is Ic1cnc(NCc2ccon2)nc1.
What is the InChIKey of 5-iodo-N-(1,2-oxazol-3-ylmethyl)pyrimidin-2-amine?
The InChIKey is UZJQTWYLDOCOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7IN4O/c9-6-3-10-8(11-4-6)12-5-7-1-2-14-13-7/h1-4H,5H2,(H,10,11,12).
What are the key properties of 5-iodo-N-(1,2-oxazol-3-ylmethyl)pyrimidin-2-amine?
5-iodo-N-(1,2-oxazol-3-ylmethyl)pyrimidin-2-amine has a molecular weight of 302.08 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-(1,2-oxazol-3-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 104844042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).